N-[(4-bromothiophen-2-yl)methyl]cyclopropanecarboxamide

C9H10BrNOS — CID 47250199

IUPACN-[(4-bromothiophen-2-yl)methyl]cyclopropanecarboxamide
SMILESO=C(NCc1cc(Br)cs1)C1CC1
InChIInChI=1S/C9H10BrNOS/c10-7-3-8(13-5-7)4-11-9(12)6-1-2-6/h3,5-6H,1-2,4H2,(H,11,12)
InChIKeyCNDCZSYQEFHXJH-UHFFFAOYSA-N
MW260.16 g/mol
LogP2.54
Rot. Bonds3

About N-[(4-bromothiophen-2-yl)methyl]cyclopropanecarboxamide

N-[(4-bromothiophen-2-yl)methyl]cyclopropanecarboxamide (PubChem CID 47250199) has the molecular formula C9H10BrNOS and a molecular weight of 260.16 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]cyclopropanecarboxamide
PubChem CID47250199
Molecular FormulaC9H10BrNOS
Molecular Weight260.16 g/mol
Exact Mass258.97
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]cyclopropanecarboxamide
SMILESO=C(NCc1cc(Br)cs1)C1CC1
InChIInChI=1S/C9H10BrNOS/c10-7-3-8(13-5-7)4-11-9(12)6-1-2-6/h3,5-6H,1-2,4H2,(H,11,12)
InChIKeyCNDCZSYQEFHXJH-UHFFFAOYSA-N
XLogP2.54
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.16
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-bromothiophen-2-yl)methyl]cyclohex-3-ene-1-carboxamide
CID 47250169
N-[(4-bromothiophen-2-yl)methyl]-1,1-dioxothiolane-3-carboxamide
CID 47250589
3-amino-N-[(4-bromothiophen-2-yl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119731570
(2S)-N-[(4-bromothiophen-2-yl)methyl]oxolane-2-carboxamide
CID 103872325
2-[(4-bromothiophen-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103978822
cis-(1S,2R)-2-[(4-bromothiophen-2-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 114092399
2-amino-N-[(4-bromothiophen-2-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119731564
N-[(4-bromothiophen-2-yl)methyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 55802223
1-[(4-bromothiophen-2-yl)methyl]-3-methylurea
CID 23548634
N-[(4-bromothiophen-2-yl)methyl]morpholine-3-carboxamide;hydrochloride
CID 119731563
N-[2-[[N'-[(4-bromothiophen-2-yl)methyl]-N-ethylcarbamimidoyl]amino]ethyl]cyclopropanecarboxamide;hydroiodide
CID 111926993
N-[(4-bromothiophen-2-yl)methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 55801902

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]cyclopropanecarboxamide?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]cyclopropanecarboxamide (CID 47250199) is N-[(4-bromothiophen-2-yl)methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]cyclopropanecarboxamide is O=C(NCc1cc(Br)cs1)C1CC1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]cyclopropanecarboxamide?
The InChIKey is CNDCZSYQEFHXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNOS/c10-7-3-8(13-5-7)4-11-9(12)6-1-2-6/h3,5-6H,1-2,4H2,(H,11,12).
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]cyclopropanecarboxamide?
N-[(4-bromothiophen-2-yl)methyl]cyclopropanecarboxamide has a molecular weight of 260.16 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]cyclopropanecarboxamide is sourced from PubChem (CID 47250199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).